input word = C00012285

Metabolite InformationStructural formula
Name Repandin D
Formula C26H34O10
Mw 506.21519731
CAS RN 71138-45-9
C_ID C00012285 ,
InChIKey WEWVIDJHAMVOCV-LFIBNONCNA-N
InChICode InChI=1S/C26H34O10/c1-8-12(2)22(28)33-19-16(24(30)32-7)11-9-10-13(3)18(27)20-17(14(4)23(29)34-20)21(19)35-25(31)26(6)15(5)36-26/h11-12,15,17-21,27H,3-4,8-10H2,1-2,5-7H3/b16-11-/t12-,15+,17-,18+,19-,20+,21-,26-/m0/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)[C@@H](C(=C)CC/C=C(/[C@@H]([C@H]2OC(=O)[C@]1(O[C@@H]1C)C)OC(=O)[C@@H](C)CC)\C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTetragonotheca repanda Ref.
zoom in